104-42-7

4-Dodecylaniline (104-42-7) IR2

Product Name4-Dodecylaniline

CAS 104-42-7

Molecular FormulaC18H31N

Molecular Weight261.45

InChIInChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3

InChIKey KLPPPIIIEMUEGP-UHFFFAOYSA-N

SmilesC1(N)=CC=C(CCCCCCCCCCCC)C=C1

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4-Dodecylaniline (104-42-7) IR2
Mass

MS-NW-9054          
p-dodecylaniline
C18H31N             (Mass of molecular ion:    261)

   Source Temperature: 180 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      41.0       1.2
      43.0       1.1
      77.0       1.0
     106.0     100.0
     107.0       8.3
     119.0       1.1
     261.0      52.5
     262.0      10.7
     263.0       1.0

in CDCl3

KBr disc

nujol mull

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